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144128-70-1 | 1,3-Cyclohexanedione, 5-[4-(dimethylamino)phenyl]-
CAS No: 144128-70-1 Catalog No: AG001IZ9 MDL No:MFCD00174364
Product Description
Catalog Number:
AG001IZ9
Chemical Name:
1,3-Cyclohexanedione, 5-[4-(dimethylamino)phenyl]-
CAS Number:
144128-70-1
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD00174364
IUPAC Name:
5-[4-(dimethylamino)phenyl]cyclohexane-1,3-dione
InChI:
InChI=1S/C14H17NO2/c1-15(2)12-5-3-10(4-6-12)11-7-13(16)9-14(17)8-11/h3-6,11H,7-9H2,1-2H3
InChI Key:
WANNTJAQMZXABU-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C1CC(=O)CC(=O)C1)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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